Structure of PDB 1tcu Chain B Binding Site BS02

Receptor Information

>1tcu Chain B (length=272) Species: 6183 (Schistosoma mansoni)

ESVTANIENVKKVAHHIQKLTSIVPEIGIICGSGLGKLADGVKDKITIPY
TKIPNFPQTSVVGHSGNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPI
RVMKLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGP
NQEAFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCY
ETPAECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVE
SAQRAELMQSWFEKIIEKLPKD

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1tcu Chain B Residue 707

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tcu Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G34 R86 H88 N117 A118 S222
• Binding residue (residue number reindexed from 1): G32 R84 H86 N115 A116 S220
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S35 H66 H88 Y90 E91 A118 M221 S222 N245 S247
• Catalytic site (residue number reindexed from 1): S33 H64 H86 Y88 E89 A116 M219 S220 N243 S245
• Enzyme Commision number: 2.4.2.1: purine-nucleoside phosphorylase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004731 purine-nucleoside phosphorylase activity
• GO:0016757 glycosyltransferase activity
• GO:0047975 guanosine phosphorylase activity

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0009116 nucleoside metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1tcu, PDBe:1tcu, PDBj:1tcu
• PDBsum: 1tcu
• PubMed: 16182308
• UniProt: Q9BMI9